SCHEMBL4100835

SCHEMBL4100835

CCNC(=O)c1cn2ncnc(Nc3cc(C(=O)NOC)ccc3C)c2c1C.CS(=O)(=O)O

nearest known ligand 0.93

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.93
MAPK11 Q15759 1/20 0.93

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4415407 0.97 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL4412457 0.90 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL12663458 0.89 MAPK14 (0.88) MAPK14MAPK11
SCHEMBL4408487 0.88 MAPK14 (0.90) MAPK14MAPK11
SCHEMBL4406674 0.88 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL16576239 0.88 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL4405233 0.87 MAPK14 (0.85) MAPK14MAPK11
SCHEMBL4412467 0.87 MAPK14 (0.82) MAPK14MAPK11
SCHEMBL4100695 0.87 MAPK14 (0.82) MAPK14MAPK11
SCHEMBL13593631 0.87 MAPK14 (1.00) MAPK14MAPK11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562949-B1 METHODS FOR THE PREPARATION OF PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-12-30 EP disclosed
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-09-10 US disclosed
EP-1562949-A4 METHODS FOR THE PREPARATION OF PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-09-12 EP disclosed
US-7211666-B2 Methods for the preparation of pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-01 US disclosed
EP-1363910-B1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-03-01 EP disclosed
EP-1562949-A2 METHODS FOR THE PREPARATION OF PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-08-17 EP disclosed
US-20050107462-A1 N-Cyclopropyl-4-[[5-[(methoxyamino)carbonyl]-2-methylphenyl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide; aminating with chloramine to produce a pyrrole with a Nitrogen nitrogen bond; reacting with formamide, cyclizing to form the pyrrolotriazine core; kinase inhibitors GODFREY JOLLIE D JR (US) 2005-05-19 US disclosed
US-6867300-B2 Methods for the preparation of pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-15 US disclosed
US-20040229877-A1 Methods of treating p38 kinase-associated conditions with pyrrolotriazine compounds LEFTHERIS KATERINA (US) 2004-11-18 US disclosed
WO-2004043912-A2 METHODS FOR THE PREPARATION OF PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-6670357-B2 Antiinflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-12-30 US disclosed
EP-1363910-A2 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2003-11-26 EP disclosed
US-20030186982-A1 Methods for the preparation of pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-10-02 US disclosed
US-20030069244-A1 Methods of treating p38 kinase-associated conditions and pyrrolotriazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-10 US disclosed
WO-2002040486-A2 METHODS OF TREATING p38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-05-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030069244-A1 Methods of treating p38 kinase-associated conditions and pyrrolotriazine compounds useful as kinase inhibitors MAPK1, MAPK3, MAPK6 MAPK14 29/4885MAPK11 38/4885
US-20090227567-A1 METHODS OF TREATING P38 KINASE-ASSOCIATED CONDITIONS AND PYRROLOTRIAZINE COMPOUNDS USEFUL AS KINASE INHIBITORS MAP3K5, MAPK1, MAPKAPK5 MAPK14 29/4885MAPK11 33/4885
US-20040229877-A1 Methods of treating p38 kinase-associated conditions with pyrrolotriazine compounds MAPK1, MAPK6, MAPK3 MAPK14 34/4885MAPK11 30/4885
US-20050107462-A1 N-Cyclopropyl-4-[[5-[(methoxyamino)carbonyl]-2-methylphenyl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide; aminating with chloramine to produce a pyrrole with a Nitrogen nitrogen bond; reacting with formamide, cyclizing to form the pyrrolotriazine core; kinase inhibitors CSNK2A1, CSNK1A1, NEK2 MAPK14 266/4885MAPK11 389/4885
US-20030186982-A1 Methods for the preparation of pyrrolotriazine compounds useful as kinase inhibitors PRKD2, CSNK1A1, CSNK2A1 MAPK14 229/4885MAPK11 290/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.